UCSF

ZINC37813506

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 15 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.00 2.87 -42.46 3 3 1 48 227.25 5
Hi High (pH 8-9.5) 1.00 2.55 -6.48 2 3 0 46 226.242 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )